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41661-57-8 | 4-Piperidinone, 1-(3-pyridinylmethyl)-
CAS No: 41661-57-8 Catalog No: AG00I84N MDL No:MFCD09038179
Product Description
Catalog Number:
AG00I84N
Chemical Name:
4-Piperidinone, 1-(3-pyridinylmethyl)-
CAS Number:
41661-57-8
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD09038179
IUPAC Name:
1-(pyridin-3-ylmethyl)piperidin-4-one
InChI:
InChI=1S/C11H14N2O/c14-11-3-6-13(7-4-11)9-10-2-1-5-12-8-10/h1-2,5,8H,3-4,6-7,9H2
InChI Key:
OTULPMPRCARKLQ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)Cc1cccnc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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